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(3aS,4S,7aS)-7-(R)-Bromo-6-hydroxy-6-(R)-methyl-3-oxo-octahydro-benzofuran-4-carboxylic acid methyl ester
SpectraBase Compound ID 4aQ3aGQcglh
InChI InChI=1S/C11H15BrO5/c1-11(15)3-5(10(14)16-2)7-6(13)4-17-8(7)9(11)12/h5,7-9,15H,3-4H2,1-2H3/t5-,7+,8-,9+,11+/m0/s1
InChIKey SDLBERLHDVVDRQ-VATAAIJLSA-N
Mol Weight 307.14 g/mol
Molecular Formula C11H15BrO5
Exact Mass 306.010287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5hZayGZEUy
Name (3aS,4S,7aS)-7-(R)-Bromo-6-hydroxy-6-(R)-methyl-3-oxo-octahydro-benzofuran-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15BrO5
InChI InChI=1S/C11H15BrO5/c1-11(15)3-5(10(14)16-2)7-6(13)4-17-8(7)9(11)12/h5,7-9,15H,3-4H2,1-2H3/t5-,7+,8-,9+,11+/m0/s1
InChIKey SDLBERLHDVVDRQ-VATAAIJLSA-N
Molecular Weight 307.140 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]([C@@](C(=O)OC)(C1)[H])(C(=O)CO2)[H])[H])(Br)[H])C
SPLASH splash10-0a4i-0609000000-0bcdbf4fbf8f158aae45
Source of Spectrum C-117-1925-19
Synonyms Methyl 7-bromohexahydro-6-methyl-3-oxobenzofuran-4-carboxylate
Wiley ID 1697545